2-butyl-1,4-dimethylbenzene;ethane;ethene

C16H28 — CID 177226937

IUPAC2-butyl-1,4-dimethylbenzene;ethane;ethene
SMILESC=C.CC.CCCCc1cc(C)ccc1C
InChIInChI=1S/C12H18.C2H6.C2H4/c1-4-5-6-12-9-10(2)7-8-11(12)3;2*1-2/h7-9H,4-6H2,1-3H3;1-2H3;1-2H2
InChIKeySLXVKBFWGXFZQH-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.47
Rot. Bonds3

About 2-butyl-1,4-dimethylbenzene;ethane;ethene

2-butyl-1,4-dimethylbenzene;ethane;ethene (PubChem CID 177226937) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 2-butyl-1,4-dimethylbenzene;ethane;ethene.

Molecular Properties

Compound Name2-butyl-1,4-dimethylbenzene;ethane;ethene
PubChem CID177226937
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name2-butyl-1,4-dimethylbenzene;ethane;ethene
SMILESC=C.CC.CCCCc1cc(C)ccc1C
InChIInChI=1S/C12H18.C2H6.C2H4/c1-4-5-6-12-9-10(2)7-8-11(12)3;2*1-2/h7-9H,4-6H2,1-3H3;1-2H3;1-2H2
InChIKeySLXVKBFWGXFZQH-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,4-dimethyl-2-(3-propoxypropyl)benzene
CID 121277387
9,9-bis(3-butyl-4-methylphenyl)-2,7-dimethylfluorene
CID 123676884
2-butyl-4-[4-(3-butyl-4-methylphenyl)butyl]-1-methylbenzene
CID 123599336
CID 68534782
CID 68534782
butane;ethane;1,2,4-trimethylbenzene
CID 143613706
6-(2,5-dimethylphenyl)hexan-3-one
CID 64522526
2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene
CID 132604430
1-butyl-2-methylbenzene;ethane;propane
CID 142102479
2-(2-chloroethyl)-1,4-dimethylbenzene
CID 53403519
2-butyl-5-methylbenzenethiol
CID 126697745
2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 62537525
ethane;ethene;methane;1,2,4-trimethylbenzene
CID 144526220

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,4-dimethylbenzene;ethane;ethene?
The IUPAC name of 2-butyl-1,4-dimethylbenzene;ethane;ethene (CID 177226937) is 2-butyl-1,4-dimethylbenzene;ethane;ethene.
What is the SMILES notation for 2-butyl-1,4-dimethylbenzene;ethane;ethene?
The canonical SMILES for 2-butyl-1,4-dimethylbenzene;ethane;ethene is C=C.CC.CCCCc1cc(C)ccc1C.
What is the InChIKey of 2-butyl-1,4-dimethylbenzene;ethane;ethene?
The InChIKey is SLXVKBFWGXFZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C2H6.C2H4/c1-4-5-6-12-9-10(2)7-8-11(12)3;2*1-2/h7-9H,4-6H2,1-3H3;1-2H3;1-2H2.
What are the key properties of 2-butyl-1,4-dimethylbenzene;ethane;ethene?
2-butyl-1,4-dimethylbenzene;ethane;ethene has a molecular weight of 220.40 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,4-dimethylbenzene;ethane;ethene is sourced from PubChem (CID 177226937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).